6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine

C13H19BrN2O2 — CID 18771920

IUPAC6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
SMILESBrc1cccc(NCCCOC2CCCCO2)n1
InChIInChI=1S/C13H19BrN2O2/c14-11-5-3-6-12(16-11)15-8-4-10-18-13-7-1-2-9-17-13/h3,5-6,13H,1-2,4,7-10H2,(H,15,16)
InChIKeyVCCVAISWBVGZDU-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.19
Rot. Bonds6

About 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine

6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine (PubChem CID 18771920) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
PubChem CID18771920
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
SMILESBrc1cccc(NCCCOC2CCCCO2)n1
InChIInChI=1S/C13H19BrN2O2/c14-11-5-3-6-12(16-11)15-8-4-10-18-13-7-1-2-9-17-13/h3,5-6,13H,1-2,4,7-10H2,(H,15,16)
InChIKeyVCCVAISWBVGZDU-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
CID 59665437
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran
CID 157460316
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
6-bromo-N-(4-methoxybutyl)pyridin-2-amine
CID 63963664
6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
CID 147793748
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[3-(3-bromophenyl)sulfonylpropoxy]oxane
CID 68669301
2-bromo-3-[4-(oxan-2-yloxy)butoxy]benzonitrile
CID 171476346
2-(12-bromododecoxy)oxane
CID 11078592

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine (CID 18771920) is 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine is Brc1cccc(NCCCOC2CCCCO2)n1.
What is the InChIKey of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine?
The InChIKey is VCCVAISWBVGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c14-11-5-3-6-12(16-11)15-8-4-10-18-13-7-1-2-9-17-13/h3,5-6,13H,1-2,4,7-10H2,(H,15,16).
What are the key properties of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine?
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine has a molecular weight of 315.21 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine is sourced from PubChem (CID 18771920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).